SCHEMBL6090860

SCHEMBL6090860

CCc1ccc(CCOc2cccc(OCc3cccc(C)c3C(=O)O)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
FFAR1 O14842 4/20 0.42
CYP3A4 P08684 1/20 0.42
RXRA P19793 1/20 0.42
SLC26A4 O43511 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PTGER4 P35408 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6091423 0.92 SLC26A4 (0.43) FFAR1SLC26A4KMT2AMEN1CYSLTR2
SCHEMBL6091090 0.91 PPARG (0.42) PPARGFFAR1CYP3A4RXRAITGB3
SCHEMBL6090266 0.83 SLC26A4 (0.46) PPARGSLC26A4ITGB3ITGB1ITGAV
SCHEMBL6092100 0.82 RXRA (0.51) RXRASLC26A4KMT2AMEN1PTGER4
SCHEMBL6088853 0.82 CYSLTR1 (0.43) KMT2AMEN1CYSLTR1NPC1TSHR
SCHEMBL6090336 0.80 CYSLTR1 (0.58) CYSLTR2CYSLTR1
SCHEMBL6088972 0.78 PPARG (0.49) PPARGCYP3A4RXRAKMT2AMEN1
SCHEMBL6089164 0.77 PTGER4 (0.47) FFAR1SLC26A4CYSLTR1PTGER4NPC1
SCHEMBL4450809 0.76 NR4A2 (0.58) SLC26A4KMT2AMEN1PTGER4ALDH1A1
SCHEMBL6088674 0.76 SLC26A4 (0.63) FFAR1SLC26A4KMT2AMEN1PTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed